CID 3088382

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-2h-imidazo(2,1-b)(1,3,4)thiadiazine hydrochloride

Structural Information

Molecular Formula
C19H25N3OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN3C=CN=C3SC2
InChI
InChI=1S/C19H25N3OS/c1-18(2,3)13-9-12(10-14(16(13)23)19(4,5)6)15-11-24-17-20-7-8-22(17)21-15/h7-10,23H,11H2,1-6H3
InChIKey
AMYFKWWXZOPJHN-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

343.17184 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.179116 187.3
[M+Na]+ 366.161058 196.5
[M-H]- 342.164564 190.4
[M+NH4]+ 361.205663 200.5
[M+K]+ 382.134998 191.0
[M+H-H2O]+ 326.169100 180.1
[M+HCOO]- 388.170041 195.9
[M+CH3COO]- 402.185691 210.2
[M+Na-2H]- 364.146506 187.9
[M]+ 343.17129142 190.3
[M]- 343.17238858 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe